1-(4-methoxyphenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(2-pyridinylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]piperazin-4-ium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H30N4O/c1-27-22-9-7-20(8-10-22)25-13-15-26(16-14-25)21-6-4-12-24(18-21)17-19-5-2-3-11-23-19/h2-3,5,7-11,21H,4,6,12-18H2,1H3/p+1/t21-/m0/s1